Geometry & MOs

Info

ID:	368417
PubChem CID:	127328342
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	6.93
IP(EA), eV:	-9.41(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoyl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)NCC2CCC3=NN=C(N3C2)C

DOS

IR

Vibrations